Chem
J-GLOBAL ID：200907088997993750   Nikkaji number：J500.250H

Physagulin A

フィサグリンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H38O7
Molecular formula furigana： C30-H38-O7
Molecular weight： 510.627
InChI： InChI=1S/C30H38O7/c1-15-12-22(36-26(33)16(15)2)17(3)20-13-25(35-18(4)31)30(34)21-14-24-29(37-24)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,13,17,19,21-22,24-25,34H,9-12,14H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29+,30-/m0/s1
InChI key： GPTVOZHQPZXWDW-SOSCMSTKSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)C1=C[C@H](OC(=O)C)[C@@]2(O)[C@@H]3C[C@H]4O[C@@]54CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (20S,22R)-15α-アセトキシ-5,6β-エポキシ-14,22-ジヒドロキシ-1-オキソ-5β-エルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (22R)-15α-アセトキシ-5,6β-エポキシ-14,22-ジヒドロキシ-1-オキソ-5β-エルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (1S,2R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-12-ヒドロキシ-2,16-ジメチル-3-オキソ-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカ-4,14-ジエン-13-イル アセタート
  • (1S,2R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-13-yl acetate
Other name (4)：
  • フィサグリンA
  • Physagulin A
  • (22R)-15α-Acetoxy-5,6β-epoxy-14,22-dihydroxy-1-oxo-5β-ergosta-2,16,24-trien-26-oic acid δ-lactone
  • (20S,22R)-15α-Acetoxy-5,6β-epoxy-14,22-dihydroxy-1-oxo-5β-ergosta-2,16,24-trien-26-oic acid δ-lactone
Thsaurus map：
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